6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid

C15H18N2O3S — CID 169229580

IUPAC6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(OCCCN3CCCC3)nc2s1
InChIInChI=1S/C15H18N2O3S/c18-15(19)12-10-11-4-5-13(16-14(11)21-12)20-9-3-8-17-6-1-2-7-17/h4-5,10H,1-3,6-9H2,(H,18,19)
InChIKeyBCQHSEMOAUJHTM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.86
Rot. Bonds6

About 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid

6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 169229580) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID169229580
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(OCCCN3CCCC3)nc2s1
InChIInChI=1S/C15H18N2O3S/c18-15(19)12-10-11-4-5-13(16-14(11)21-12)20-9-3-8-17-6-1-2-7-17/h4-5,10H,1-3,6-9H2,(H,18,19)
InChIKeyBCQHSEMOAUJHTM-UHFFFAOYSA-N
XLogP2.86
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-pyrrolidin-1-ylpropoxy)-1-benzothiophene-2-carboxylic acid
CID 169229532
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 169229482
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
CID 169002752
4-iodo-3-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 114103663
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926
5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 18754120
2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141177234

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid (CID 169229580) is 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2ccc(OCCCN3CCCC3)nc2s1.
What is the InChIKey of 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is BCQHSEMOAUJHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-15(19)12-10-11-4-5-13(16-14(11)21-12)20-9-3-8-17-6-1-2-7-17/h4-5,10H,1-3,6-9H2,(H,18,19).
What are the key properties of 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid?
6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 169229580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).